Sugi Predict

Sugi Predict / Compounds / SCHEMBL23007689

SCHEMBL23007689

SCHEMBL23007689

Cc1cccc(-c2nc(-c3csc4cnccc34)c3nc[nH]c3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 16/20 0.43
▸ TGFBR2 P37173 6/20 0.43
▸ MAPK14 Q16539 1/20 0.36
▸ POLQ O75417 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ MAP3K7 O43318 2/20 0.32
▸ TAB1 Q15750 2/20 0.32

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
SCHEMBL29363331 1.00 TGFBR1 (0.43) TGFBR1TGFBR2MAPK14POLQCYP2A6
SCHEMBL23007685 0.83 TGFBR1 (0.43) TGFBR1TGFBR2MAPK14CYP2A6
SCHEMBL23007699 0.81 TGFBR1 (0.43) TGFBR1TGFBR2MAPK14CYP2A6
SCHEMBL23007881 0.80 TGFBR1 (0.45) TGFBR1TGFBR2MAPK14
SCHEMBL29366479 0.80 TGFBR1 (0.45) TGFBR1TGFBR2MAPK14
SCHEMBL29365637 0.76 TGFBR1 (0.44) TGFBR1TGFBR2MAPK14CYP2A6
SCHEMBL23007894 0.76 TGFBR1 (0.44) TGFBR1TGFBR2MAPK14CYP2A6
SCHEMBL23007681 0.72 TGFBR1 (0.35) TGFBR1TGFBR2MAPK14
SCHEMBL29365663 0.72 ADORA2A (0.40) TGFBR1MAPK14
SCHEMBL23008015 0.71 TGFBR1 (0.36) TGFBR1TGFBR2MAPK14

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
WO-2021027594-A1 IMIDAZOLOPYRIMIDINE COMPOUNDS COMPRISING FUSED RING GROUP, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-02-18 — — WO disclosed