SCHEMBL20998610

SCHEMBL20998610

NC(=O)c1cc(N2CCCC2)cnc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.46
CSF1R P07333 1/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP14 Q460N5 1/20 0.44
RAB9A P51151 1/20 0.41
LIPE Q05469 1/20 0.41
SYK P43405 1/20 0.41
STAT6 P42226 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
TSHR P16473 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL16676752 0.89 PARP10 (0.48) BTKPARP10PARP14
SCHEMBL16671485 0.89 BTK (0.44) BTKPARP10PARP14RAB9ASYK
SCHEMBL16671812 0.87 BTK (0.47) BTKCSF1RSYKTSHR
SCHEMBL16670710 0.85 BTK (0.45) BTKSYK
SCHEMBL16670822 0.84 BTK (0.56) BTKSYKTSHR
SCHEMBL16670840 0.82 CHRNB2 (0.48) BTKSYK
SCHEMBL28835246 0.81 BTK (0.55) BTKSYK
SCHEMBL16671450 0.81 BTK (0.64) BTKSYK
SCHEMBL16671805 0.81 MEN1 (0.42) BTKPARP10PARP14SYKTSHR
SCHEMBL16671599 0.80 BTK (0.71) BTK

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
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed