SCHEMBL30462096

SCHEMBL30462096

COc1cnc(-c2ccccc2C(C)C)nc1N

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 13/20 0.51
▸ P2RX2 Q9UBL9 13/20 0.51
▸ USP1 O94782 2/20 0.49
▸ WDR48 Q8TAF3 2/20 0.49
▸ DHFR P00374 1/20 0.43

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
SCHEMBL26627842 1.00 P2RX3 (0.51) P2RX3P2RX2USP1WDR48DHFR
SCHEMBL30462090 0.81 USP1 (0.58) USP1WDR48
SCHEMBL26627798 0.81 USP1 (0.58) USP1WDR48
SCHEMBL28010573 0.78 ATR (0.44) P2RX3P2RX2
SCHEMBL26627764 0.76 USP1 (0.45) USP1WDR48
SCHEMBL30462087 0.76 USP1 (0.45) USP1WDR48
SCHEMBL5252239 0.75 KMT2A (0.68) P2RX3P2RX2
SCHEMBL27953457 0.72 ALDH1A1 (0.49) —
SCHEMBL1443064 0.72 L3MBTL1 (0.65) —
SCHEMBL31423632 0.70 USP1 (0.75) USP1WDR48

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-118660872-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2024-09-17 — — CN disclosed
CN-116496252-A Pyrimidine compound, preparation method and medical application thereof 江苏亚虹医药科技股份有限公司 2023-07-28 — — CN disclosed
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