SCHEMBL8349127

SCHEMBL8349127

Cc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.56
▸ CAMK2D Q13557 2/20 0.53
▸ JAK2 O60674 4/20 0.53
▸ JAK3 P52333 1/20 0.53
▸ CNR2 P34972 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ CAMKK2 Q96RR4 2/20 0.50
▸ CAMKK1 Q8N5S9 1/20 0.50
▸ PIK3CA P42336 1/20 0.48
▸ PDGFRA P16234 4/20 0.48
▸ KIT P10721 2/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ ABL1 P00519 3/20 0.47
▸ EGFR P00533 2/20 0.47
▸ PRKCA P17252 2/20 0.47
▸ PRKCD Q05655 1/20 0.47
▸ BCR P11274 2/20 0.47
▸ PDGFRB P09619 1/20 0.47

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
SCHEMBL8349440 0.93 BTK (0.54) BTKJAK2JAK3SYKPDGFRA
SCHEMBL8349795 0.89 KDM4E (0.58) BTKCAMK2DJAK2JAK3SYK
SCHEMBL14348390 0.86 JAK2 (0.64) BTKCAMK2DJAK2JAK3CAMKK2
SCHEMBL8352521 0.83 ABL1 (0.58) CAMK2DJAK2JAK3CAMKK2PDGFRA
SCHEMBL14348407 0.83 CAMK2D (0.72) CAMK2DJAK2JAK3CAMKK2PDGFRA
SCHEMBL8350880 0.82 MAPK8 (0.54) JAK2JAK3PIK3CAMAPK8GSK3B
SCHEMBL14348392 0.79 CAMKK2 (0.60) BTKCAMK2DJAK2JAK3CNR2
SCHEMBL27549053 0.78 PDGFRA (0.53) PDGFRAKITABL1EGFRPRKCA
SCHEMBL14253908 0.77 ABL1 (0.59) BTKCAMK2DJAK2JAK3CAMKK2
SCHEMBL8350684 0.77 MAPK8 (0.55) MAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 — — US disclosed
WO-2004041789-A1 COMPOSITIONS USEFUL AS INHIBITORS OF JAK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 — — WO disclosed
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