SCHEMBL28508014

SCHEMBL28508014

Nc1ncnn2c(Br)cc(C(=O)O)c12.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.38
▸ CSNK2A2 P19784 12/20 0.37
▸ CSNK2A1 P68400 12/20 0.37
▸ FGFR1 P11362 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ACVRL1 P37023 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ PIK3CD O00329 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
SCHEMBL14651915 0.98 NTRK1 (0.38) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL19279707 0.86 CSNK2A2 (0.39) NTRK1CSNK2A2CSNK2A1FGFR1PIK3CD
SCHEMBL21199390 0.85 CSNK2A2 (0.40) NTRK1CSNK2A2CSNK2A1NTRK2ACVRL1
SCHEMBL13869069 0.81 RXFP1 (0.34) KDM4E
SCHEMBL12537596 0.81 NTRK1 (0.41) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL12283438 0.80 NTRK1 (0.38) NTRK1CSNK2A2CSNK2A1FGFR1NTRK2
SCHEMBL12285417 0.78 KDM4E (0.45) CSNK2A2CSNK2A1KDM4E
SCHEMBL12283330 0.77 CSNK2A2 (0.43) NTRK1CSNK2A2CSNK2A1FGFR1PIK3CD
SCHEMBL19279752 0.77 CSNK2A2 (0.35) NTRK1CSNK2A2CSNK2A1NTRK2PIK3CD
SCHEMBL12537481 0.76 NTRK1 (0.51) NTRK1CSNK2A2CSNK2A1NTRK2TNK2

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-112262139-B Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2023-07-25 — — CN disclosed
CN-112262139-A Aminopyrrolotriazines as kinase inhibitors 百时美施贵宝公司 2021-01-22 — — CN disclosed
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