SCHEMBL6958474

SCHEMBL6958474

Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccc(OC(=O)c4cccc(C#N)c4)cc3C2C)c1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.36
CDC7 O00311 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
ROCK2 O75116 2/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
BPTF Q12830 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL6958156 0.96 CDC7 (0.35) RORCCDC7TP53MAPTTDP1
SCHEMBL6957761 0.92 TP53 (0.40) TP53MAPTNPSR1SMN1; SMN2BPTF
SCHEMBL6970019 0.91 SMN1; SMN2 (0.37) CDC7TP53MAPTTDP1NPSR1
SCHEMBL6961033 0.89 SRD5A1 (0.36) SMN1; SMN2
SCHEMBL6954411 0.88 SMN1; SMN2 (0.39) MAPTNPSR1EGFRSMN1; SMN2
SCHEMBL6959003 0.87 TP53 (0.41) TP53MAPTNPSR1SMN1; SMN2BPTF
SCHEMBL6961412 0.86 SMN1; SMN2 (0.37) TP53MAPTNPSR1SMN1; SMN2BPTF
SCHEMBL6961519 0.85 KMT2A (0.33) RORCCDC7TP53MAPTNPSR1
SCHEMBL6966508 0.85 KMT2A (0.37) TP53MAPTL3MBTL1NPSR1EGFR
SCHEMBL6957582 0.85 CCNE1 (0.39) TP53MAPTNPSR1

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 5 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 claimed
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
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed