SCHEMBL29017677

SCHEMBL29017677

CCc1ccccc1-c1ccc(N2CCCC(NC(=O)c3ccc(OC)cc3)C2)nn1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.53
JAK3 P52333 10/20 0.48
LCK P06239 6/20 0.48
EGFR P00533 2/20 0.47

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
SCHEMBL29637931 1.00 BTK (0.53) BTKJAK3LCKEGFR
SCHEMBL29637917 0.90 KMT2A (0.44) BTKJAK3
SCHEMBL29017728 0.90 BTK (0.53) BTKJAK3LCKEGFR
SCHEMBL29637923 0.90 CNR1 (0.47) BTK
SCHEMBL29017671 0.90 KMT2A (0.44) BTKJAK3
SCHEMBL29637912 0.90 BTK (0.53) BTKJAK3LCKEGFR
SCHEMBL29017694 0.90 CNR1 (0.47) BTK
SCHEMBL29017745 0.89 BTK (0.56) BTKJAK3LCKEGFR
SCHEMBL29017647 0.89 BTK (0.52) BTKJAK3LCKEGFR
SCHEMBL29637945 0.88 BTK (0.51) BTKJAK3LCKEGFR

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-114478478-B N- (1- (6- (substituted phenyl) pyridazin-3-yl) piperidin-3-yl) amine/amide derivatives and process for preparing the same 厦门大学 2023-06-13 CN disclosed
CN-114478478-A N- (1- (6- (substituted phenyl) pyridazine-3-yl) piperidine-3-yl) amine/amide derivative and preparation method thereof 厦门大学 2022-05-13 CN disclosed