SCHEMBL31639299

SCHEMBL31639299

COc1cc2ncc(-c3nc(Cl)c(C#N)cc3F)n2nc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 1/20 0.34
▸ NRAS P01111 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ EGFR P00533 2/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ EGLN2 Q96KS0 2/20 0.32
▸ TPH1 P17752 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ KDM1A O60341 5/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ KIT P10721 1/20 0.30
▸ SRC P12931 1/20 0.30

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
SCHEMBL31639512 0.84 PDE4D (0.33) NRASFLT3PDE4DFYN
SCHEMBL31639298 0.82 GABRA1 (0.35) KHKEGFREGLN2ERBB2FYN
SCHEMBL31639498 0.81 TGFBR1 (0.35) KHKEGFREGLN2ERBB2LRRK2
SCHEMBL31639429 0.81 TGFBR1 (0.35) KHKEGFREGLN2ERBB2LRRK2
SCHEMBL27332713 0.80 NRAS (0.36) NRASFLT3FYN
SCHEMBL31639175 0.80 NRAS (0.36) NRASFLT3PDE4DFYN
SCHEMBL31639320 0.80 ALDH1A1 (0.41) EGFREGLN2ERBB2LRRK2SRC
SCHEMBL31639312 0.80 ALDH1A1 (0.41) EGFREGLN2ERBB2LRRK2SRC
SCHEMBL31639270 0.80 EGFR (0.33) KHKEGFREGLN2ERBB2LRRK2
SCHEMBL30698355 0.79 NRAS (0.36) NRASFLT3EGFRPDE4DEGLN2

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
WO-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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