SCHEMBL30671840

SCHEMBL30671840

Cn1c(-c2nc(Cl)ncc2F)cc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.42
▸ CDC7 O00311 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FGFR1 P11362 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GLS O94925 1/20 0.34
▸ S1PR4 O95977 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL30671841 0.88 CYP19A1 (0.43) CYP19A1CDC7MAPTOPRK1KMT2A
SCHEMBL30671847 0.87 CYP19A1 (0.43) CYP19A1CDC7MAPTOPRK1KMT2A
SCHEMBL17339063 0.78 KMT2A (0.46) MAPTKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL27241000 0.78 CDK2 (0.39) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL30671854 0.78 CDK2 (0.39) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL30671853 0.78 CDC7 (0.46) CYP19A1CDC7MAPTKMT2AFGFR1
SCHEMBL19533519 0.72 GLS (0.38) CDC7CCNT1CCNE2CCNE1CDK2
SCHEMBL19533520 0.71 FGFR1 (0.54) MAPTOPRK1KMT2AFGFR1ALDH1A1
SCHEMBL2246276 0.70 CYP19A1 (0.79) CYP19A1MAPTKMT2AFGFR1ALDH1A1
SCHEMBL30584583 0.69 ALDH1A1 (0.43) CDK2MAPTPIN1OPRK1KMT2A

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-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 — — CN disclosed
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