SCHEMBL31264693

SCHEMBL31264693

Cn1cc(-c2ccc(Oc3nccc(C(F)(F)F)n3)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.51
▸ FEN1 P39748 3/20 0.51
▸ EIF2AK3 Q9NZJ5 15/20 0.48
▸ RIPK1 Q13546 4/20 0.48
▸ CYP3A4 P08684 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ FGFR3 P22607 1/20 0.45
▸ EIF2AK4 Q9P2K8 2/20 0.42
▸ CYP2C8 P10632 2/20 0.41
▸ EIF2AK2 P19525 2/20 0.41
▸ EIF2AK1 Q9BQI3 2/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ YES1 P07947 1/20 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
SCHEMBL26106772 0.88 CYP3A4 (0.56) ALOX5APFEN1EIF2AK3RIPK1CYP3A4
SCHEMBL29407664 0.88 CYP3A4 (0.56) ALOX5APFEN1EIF2AK3RIPK1CYP3A4
SCHEMBL31264724 0.85 CYP3A4 (0.45) EIF2AK3CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31264720 0.83 CYP3A4 (0.51) ALOX5APFEN1EIF2AK3RIPK1CYP3A4
SCHEMBL31264744 0.77 EIF2AK3 (0.47) EIF2AK3RIPK1EIF2AK2EIF2AK1
SCHEMBL31264751 0.77 CYP3A4 (0.45) ALOX5APFEN1EIF2AK3RIPK1CYP3A4
SCHEMBL31264730 0.76 CYP3A4 (0.46) ALOX5APFEN1EIF2AK3RIPK1CYP3A4
SCHEMBL25640015 0.76 CYP3A4 (0.46) ALOX5APFEN1EIF2AK3RIPK1CYP3A4
SCHEMBL31264736 0.75 EIF2AK3 (0.44) EIF2AK3RIPK1EIF2AK2EIF2AK1LCK
SCHEMBL31264749 0.75 EIF2AK3 (0.47) EIF2AK3RIPK1AXL

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-119894900-A Pyrrolo pyrimidine derivative and application thereof in medicine 康百达(四川)生物医药科技有限公司 2025-04-25 — — CN disclosed
WO-2024251147-A1 PYRROLOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2024-12-12 — — WO disclosed
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