SCHEMBL6970019

SCHEMBL6970019

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)c4ccccc4)cc3C2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNH3 Q9ULD8 1/20 0.35
PDGFRB P09619 2/20 0.35
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
YES1 P07947 1/20 0.35
RET P07949 1/20 0.35
BCR P11274 1/20 0.35
EPHA2 P29317 1/20 0.35
EPHB2 P29323 1/20 0.35
TGFBR2 P37173 1/20 0.35
ABL2 P42684 1/20 0.35
EPHB4 P54760 1/20 0.35
EPHA4 P54764 1/20 0.35
DDR1 Q08345 1/20 0.35
ACVR2B Q13705 1/20 0.35
KMT2A Q03164 4/20 0.35

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
SCHEMBL6957761 0.94 TP53 (0.40) SMN1; SMN2NPSR1KMT2AMAPTTP53
SCHEMBL6954411 0.94 SMN1; SMN2 (0.39) SMN1; SMN2NPSR1PDGFRBKMT2AMAPT
SCHEMBL6961412 0.94 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1KCNH3PDGFRBGAK
SCHEMBL6961033 0.91 SRD5A1 (0.36) SMN1; SMN2ABL1LCKBCRSRC
SCHEMBL6958474 0.91 RORC (0.36) SMN1; SMN2NPSR1MAPTTP53EGFR
SCHEMBL6955513 0.90 NPSR1 (0.36) SMN1; SMN2NPSR1KMT2AMAPTTP53
SCHEMBL6966918 0.90 SMN1; SMN2 (0.36) SMN1; SMN2NPSR1KMT2AMAPTTP53
SCHEMBL6966508 0.90 KMT2A (0.37) SMN1; SMN2NPSR1KCNH3PDGFRBLCK
SCHEMBL6961880 0.89 KMT2A (0.38) SMN1; SMN2NPSR1LCKKMT2AMAPT
SCHEMBL6962636 0.89 NR1D1 (0.34) SMN1; SMN2NPSR1KMT2AMAPTTP53

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-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed