SCHEMBL21425528

SCHEMBL21425528

COC(=O)c1cc(Oc2ccc(C)nc2C)ccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.53
▸ CSF1R P07333 3/20 0.45
▸ PDGFRB P09619 3/20 0.45
▸ PDGFRA P16234 3/20 0.45
▸ GRM5 P41594 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ P2RX3 P56373 3/20 0.41
▸ PYGL P06737 1/20 0.40
▸ PYGM P11217 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
SCHEMBL21425527 0.87 TGFBR1 (0.43) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL30890837 0.87 TGFBR1 (0.43) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL21425701 0.86 TGFBR1 (0.49) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL21425594 0.86 KDR (0.52) TGFBR1CSF1RGRM5
SCHEMBL21425599 0.85 TGFBR1 (0.48) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL21425632 0.77 TGFBR1 (0.46) TGFBR1CSF1RPDGFRBPDGFRAGRM5
SCHEMBL3949465 0.77 TGFBR1 (0.61) TGFBR1ALDH1A1
SCHEMBL19224629 0.76 RIPK1 (0.49) PDGFRAP2RX3PYGLPYGM
SCHEMBL6014711 0.76 KDR (0.49) PDGFRAALDH1A1P2RX3
SCHEMBL1703544 0.75 CCR1 (0.52) GRM5ALDH1A1PYGLPYGM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632907-B1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2024-02-28 — — EP disclosed
EP-3632907-A1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-04-08 — — EP disclosed
WO-2018214867-A9 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海和誉生物医药科技有限公司 2019-10-03 — — WO disclosed
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