SCHEMBL31388554

SCHEMBL31388554

COc1ccc(F)cc1C(=O)NCc1ccc(-c2nc(C3CCCCN3C(=O)Nc3ccccc3)cc3[nH]nc(N)c23)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.56
EGFR P00533 11/20 0.49
MAPK1 P28482 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
SCHEMBL31329119 0.88 BTK (0.64) BTKEGFRMAPK1
SCHEMBL31328999 0.88 BTK (0.65) BTKEGFRMAPK1
SCHEMBL31388605 0.81 BTK (0.56) BTKEGFRMAPK1
SCHEMBL31329079 0.80 BTK (0.59) BTKEGFRMAPK1
SCHEMBL31328820 0.80 BTK (0.59) BTKEGFRMAPK1
SCHEMBL31328975 0.80 BTK (0.59) BTKEGFRMAPK1
SCHEMBL31328892 0.80 BTK (0.59) BTKEGFRMAPK1
SCHEMBL31388579 0.80 BTK (0.55) BTKEGFRMAPK1
SCHEMBL31329006 0.79 BTK (0.58) BTKEGFRMAPK1
SCHEMBL31329061 0.79 BTK (0.55) BTKEGFR

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
CN-119241532-A 1H-pyrazolo [4,3-c ] pyridine compound, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2025-01-03 CN disclosed