SCHEMBL28696345

SCHEMBL28696345

COc1ccc(-c2cccc3cnc(Nc4cccc(CCN5CCNCC5)c4)nc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 2/20 0.47
▸ RIPK2 O43353 1/20 0.44
▸ USP2 O75604 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ MLNR O43193 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ FGFR2 P21802 1/20 0.41
▸ TTK P33981 2/20 0.41

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
SCHEMBL18377043 0.83 ACP1 (0.56) ACP1RIPK2
SCHEMBL29368456 0.83 ACP1 (0.56) ACP1RIPK2
SCHEMBL18377063 0.83 TTK (0.51) RIPK2CDK1TTKBMPR2JUN
SCHEMBL29368477 0.83 TTK (0.51) RIPK2CDK1TTKBMPR2JUN
SCHEMBL29205093 0.83 EGFR (0.44) ACP1RIPK2TP53SYKFGFR2
SCHEMBL29371147 0.80 SRC (0.53) RIPK2USP2CYP1A2LMNAMAPK1
SCHEMBL18376821 0.80 SRC (0.53) RIPK2USP2CYP1A2LMNAMAPK1
SCHEMBL18376603 0.79 FGFR2 (0.51) RIPK2KDRFGFR2TTK
SCHEMBL29370825 0.79 FGFR2 (0.51) RIPK2KDRFGFR2TTK
SCHEMBL18376788 0.79 FGFR2 (0.58) RIPK2KDRFGFR2TTKEGFR

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
CN-113999180-A Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2022-02-01 — — CN disclosed
CN-106316965-B Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2021-08-27 — — CN disclosed
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