SCHEMBL29205109

SCHEMBL29205109

CC(=O)N1CCN(c2cccc(Nc3ncc4cccc(-c5ccc(NS(=O)(=O)NC(C)(C)C)cc5)c4n3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.58
▸ JAK2 O60674 8/20 0.56
▸ BRD4 O60885 6/20 0.56
▸ CCNT1 O60563 7/20 0.48
▸ CCNA2 P20248 7/20 0.48
▸ CDK2 P24941 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ CDK1 P06493 4/20 0.48
▸ CCNB1 P14635 4/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ JAK3 P52333 3/20 0.47
▸ PTK2 Q05397 1/20 0.47
▸ CDK7 P50613 3/20 0.46
▸ CCNH P51946 3/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ SYK P43405 1/20 0.45

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
SCHEMBL18376833 0.91 EGFR (0.56) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL18376249 0.90 EGFR (0.61) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL28120647 0.89 EGFR (0.60) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL29205091 0.88 PTK2 (0.55) EGFRJAK2BRD4JAK3PTK2
SCHEMBL18376844 0.87 EGFR (0.65) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL18376748 0.86 EGFR (0.57) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL18376829 0.86 EGFR (0.60) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL18376840 0.86 EGFR (0.62) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL29368834 0.86 EGFR (0.62) EGFRJAK2BRD4CCNT1CCNA2
SCHEMBL18376835 0.85 EGFR (0.58) EGFRJAK2BRD4CCNT1CCNA2

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
CN-113999180-B Quinazoline compound, intermediate, preparation method, pharmaceutical composition and application 上海医药集团股份有限公司 2024-03-26 — — CN disclosed
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