SCHEMBL14021235

SCHEMBL14021235

O=C(c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.53
▸ ABL1 P00519 4/20 0.51
▸ BCR P11274 4/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ SLC6A7 Q99884 1/20 0.50
▸ JAK2 O60674 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SCN9A Q15858 1/20 0.48

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
SCHEMBL14021251 0.87 JAK2 (0.57) SLC6A7JAK2LMNAMAPTHTT
SCHEMBL14021240 0.84 HSP90AA1 (0.61) SLC6A7JAK2MAPTHTTKMT2A
SCHEMBL4385553 0.84 JAK2 (0.72) JAK2
SCHEMBL8312431 0.83 RHOC (0.52) ABL1BCRCNR1MAPT
SCHEMBL8312954 0.82 PIK3CA (0.52) JAK2
SCHEMBL14063828 0.82 CAMK2D (0.61) SLC6A7JAK2KMT2AMEN1
SCHEMBL14021225 0.82 JAK2 (0.60) JAK2LMNASMN1; SMN2
SCHEMBL4376814 0.80 JAK2 (0.72) JAK2MAPTHTTPOLBSMN1; SMN2
SCHEMBL14021219 0.80 PIK3CA (0.58) JAK2
SCHEMBL8311359 0.80 PIK3CA (0.49) JAK2

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 4 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
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