SCHEMBL4812895

SCHEMBL4812895

CN(C)Cc1ccc(-c2cc3c(NCc4ccc(=O)[nH]c4)ncnc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.53
CSF1R P07333 7/20 0.53
ERBB2 P04626 2/20 0.49
KDR P35968 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CHUK O15111 1/20 0.47
INSR P06213 1/20 0.47
MAPK8 P45983 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
ENPP1 P22413 2/20 0.44

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
SCHEMBL4815308 0.87 EGFR (0.53) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4764474 0.86 CHUK (0.47) EGFRCSF1RCHUKINSRMAPK8
SCHEMBL4812889 0.85 EGFR (0.53) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4769526 0.83 KDR (0.59) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4766838 0.81 CSF1R (0.60) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4764733 0.80 EGFR (0.59) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4766796 0.79 CSF1R (0.66) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4764349 0.79 EGFR (0.53) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4767041 0.78 EGFR (0.57) EGFRCSF1RERBB2KDRHDAC3
SCHEMBL4767084 0.78 EGFR (0.52) EGFRCSF1RERBB2KDRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US claimed