SCHEMBL4427644

SCHEMBL4427644

CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cnc(C(C)(C)C)nc3N3CCNCC3)c2)cc2cnc(NC)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.48
RAF1 P04049 8/20 0.48
KRAS P01116 7/20 0.48
KDR P35968 7/20 0.48
MAP2K2 P36507 3/20 0.48
MAP2K1 Q02750 3/20 0.48
PAK1 Q13153 3/20 0.45
PAK2 Q13177 2/20 0.45
PAK4 O96013 2/20 0.45
PKN1 Q16512 2/20 0.45
PAK3 O75914 1/20 0.45
LIMK1 P53667 1/20 0.45
LIMK2 P53671 1/20 0.45
SIK2 Q9H0K1 3/20 0.38
SIK3 Q9Y2K2 3/20 0.38
ABL1 P00519 2/20 0.38
EPHA2 P29317 2/20 0.38
MAPK8 P45983 2/20 0.38
EPHB4 P54760 2/20 0.38
SIK1 P57059 2/20 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
Hydrochloric Acid SCHEMBL5057573 0.99 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5066950 0.89 BRAF (0.46) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4420200 0.84 BRAF (0.49) BRAFRAF1KRASKDRMAP2K2
Hydrochloric Acid SCHEMBL4419083 0.83 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5055210 0.83 BRAF (0.48) BRAFRAF1KRASKDRMAP2K2
Hydrochloric Acid SCHEMBL5065369 0.82 BRAF (0.47) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4563066 0.79 BRAF (0.56) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4424987 0.79 BRAF (0.56) BRAFRAF1KRASKDRMAP2K2
SCHEMBL4270638 0.79 KDR (0.53) BRAFRAF1KRASKDRMAP2K2
SCHEMBL5062718 0.79 BRAF (0.58) BRAFRAF1KRASKDRMAP2K2

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
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP claimed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO claimed