SCHEMBL14348392

SCHEMBL14348392

Cc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1C(=O)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 2/20 0.60
▸ CAMKK1 Q8N5S9 1/20 0.60
▸ CAMK2D Q13557 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 2/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ ABL1 P00519 2/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ BCR P11274 2/20 0.46
▸ PDGFRA P16234 2/20 0.46
▸ SRC P12931 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14348408 0.84 CAMK2D (0.68) CAMKK2CAMKK1CAMK2DJAK2JAK3
SCHEMBL14348390 0.84 JAK2 (0.64) CAMKK2CAMKK1CAMK2DJAK2JAK3
SCHEMBL8351537 0.83 RXFP1 (0.54) MAPTRXFP1RAB9ANPC1TP53
SCHEMBL14348389 0.80 SMG1 (0.56) CAMKK2CAMKK1CAMK2DJAK2JAK3
SCHEMBL8349127 0.79 BTK (0.56) CAMKK2CAMKK1CAMK2DJAK2JAK3
SCHEMBL8349795 0.77 KDM4E (0.58) CAMKK2CAMKK1CAMK2DJAK2JAK3
SCHEMBL8349440 0.76 BTK (0.54) JAK2JAK3MAPTABL1PDGFRB
SCHEMBL14253908 0.75 ABL1 (0.59) CAMKK2CAMKK1CAMK2DJAK2JAK3
SCHEMBL1927424 0.75 PDGFRA (0.62) ABL1PDGFRBBCRPDGFRAEGFR
SCHEMBL14021128 0.74 PIK3CA (0.55) CAMK2DJAK2JAK3CNR1PIK3CA

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 2 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
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