SCHEMBL30467307

SCHEMBL30467307

CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CN)cc2)ncc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 18/20 0.67
▸ CDC7 O00311 1/20 0.64
▸ ROCK2 O75116 1/20 0.64
▸ MAP4K4 O95819 1/20 0.64
▸ PIM1 P11309 1/20 0.64
▸ PRKACA P17612 1/20 0.64
▸ CDK7 P50613 1/20 0.64
▸ CDK9 P50750 1/20 0.64
▸ HIPK2 Q9H2X6 1/20 0.64
▸ IRAK4 Q9NWZ3 1/20 0.64
▸ KDR P35968 2/20 0.61
▸ JAK2 O60674 1/20 0.61
▸ NTRK1 P04629 1/20 0.61
▸ TYK2 P29597 1/20 0.61
▸ JAK3 P52333 1/20 0.61
▸ PTK2B Q14289 1/20 0.61
▸ NTRK3 Q16288 1/20 0.61
▸ NTRK2 Q16620 1/20 0.61
▸ AURKB Q96GD4 1/20 0.57

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
SCHEMBL25241734 1.00 PTK2 (0.67) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL31653644 0.91 PTK2 (0.65) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL2051845 0.89 PTK2 (0.62) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL2637548 0.89 PTK2 (0.62) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL25692495 0.88 PTK2 (0.68) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL31260481 0.87 PTK2 (0.67) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL2038520 0.87 PTK2 (0.61) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL2029802 0.86 PTK2 (0.65) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL26123046 0.86 PTK2 (0.65) PTK2CDC7ROCK2MAP4K4PIM1
SCHEMBL2030366 0.85 PTK2 (0.77) PTK2CDC7ROCK2MAP4K4PIM1

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-2023109751-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF 希格生科(深圳)有限公司 2023-06-22 — — WO disclosed
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