SCHEMBL4412596

SCHEMBL4412596

Cc1ccc(NC(=O)c2cc(C#N)cc(N3CCCC3)c2)cc1-c1cc(C(=O)NC2CCCCC2)on1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.43
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PDE4B Q07343 1/20 0.39
RAF1 P04049 3/20 0.39
BRAF P15056 3/20 0.39
USP30 Q70CQ3 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CSF1R P07333 2/20 0.38
LCK P06239 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4410942 0.89 BRAF (0.45) RAF1BRAFCSF1R
SCHEMBL5593352 0.88 RAF1 (0.41) MAPK14RAF1BRAFNPC1MAPT
SCHEMBL4565287 0.86 RAB9A (0.47) MAPK14RAF1BRAFNPC1MAPT
SCHEMBL4408593 0.86 TEK (0.43) ACKR3MAPK14KDM4ERAF1BRAF
SCHEMBL4409531 0.86 RAF1 (0.42) RAF1BRAFCSF1R
SCHEMBL4409551 0.85 RAF1 (0.43) RAF1BRAFCSF1R
SCHEMBL5593311 0.85 RAF1 (0.46) RAF1BRAFCSF1R
SCHEMBL4416214 0.82 MAPK14 (0.43) MAPK14RAF1BRAFNPC1MAPT
SCHEMBL4415069 0.82 MAPK14 (0.47) MAPK14KDM4ERAF1BRAFNPC1
SCHEMBL4541481 0.82 RAB9A (0.47) MAPK14MAPK13RAF1BRAFNPC1

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
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed