SCHEMBL8312431

SCHEMBL8312431

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Cl)cc4)n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 3/20 0.52
▸ RHOA P61586 3/20 0.52
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ PRKAB2 O43741 1/20 0.46
▸ PRKAG1 P54619 1/20 0.46
▸ PRKAA2 P54646 1/20 0.46
▸ PRKAA1 Q13131 1/20 0.46
▸ PRKAG3 Q9UGI9 1/20 0.46
▸ PRKAG2 Q9UGJ0 1/20 0.46
▸ PRKAB1 Q9Y478 1/20 0.46
▸ ABL1 P00519 4/20 0.46
▸ BCR P11274 4/20 0.46
▸ PIK3CA P42336 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ IKBKB O14920 3/20 0.45
▸ CHUK O15111 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8312954 0.84 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL14021235 0.83 FAAH (0.53) CNR1ABL1BCRMAPT
SCHEMBL14021305 0.83 CNR2 (0.51) CNR1CNR2ABL1BCRPIK3CA
SCHEMBL14063828 0.82 CAMK2D (0.61) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL14021219 0.81 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL8311359 0.81 PIK3CA (0.49) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL8312148 0.81 CDK1 (0.62) ABL1PIK3CAPIK3CBPIK3CGIKBKB
SCHEMBL1512786 0.81 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL11924733 0.81 MTOR (0.60) PIK3CAPIK3CBPIK3CGIKBKBCHUK
SCHEMBL14021190 0.81 MTOR (0.60) PIK3CAPIK3CBPIK3CGIKBKBCHUK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 — — US disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 — — WO disclosed
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