SCHEMBL30957977

SCHEMBL30957977

COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Br)cn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.61
▸ ALK Q9UM73 8/20 0.60
▸ INSR P06213 5/20 0.60
▸ IGF1R P08069 3/20 0.60
▸ LRRK2 Q5S007 1/20 0.57
▸ CAMK2D Q13557 1/20 0.56
▸ ULK1 O75385 1/20 0.55
▸ EGFR P00533 3/20 0.55
▸ NPM1 P06748 1/20 0.55
▸ FGFR1 P11362 1/20 0.54

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
SCHEMBL20516347 1.00 TTK (0.61) TTKALKINSRIGF1RLRRK2
SCHEMBL30957983 0.89 TTK (0.61) TTKALKINSRIGF1RLRRK2
SCHEMBL22256003 0.82 ALK (0.54) TTKALKINSRIGF1RLRRK2
SCHEMBL29904712 0.81 TTK (0.49) TTKALKINSRIGF1RLRRK2
SCHEMBL29561043 0.81 EGFR (0.60) TTKALKINSRIGF1RLRRK2
SCHEMBL24091927 0.81 ALK (0.57) TTKALKINSRIGF1RLRRK2
SCHEMBL21650062 0.81 ALK (0.57) TTKALKINSRIGF1RLRRK2
SCHEMBL17197436 0.81 TTK (0.52) TTKALKINSRIGF1RLRRK2
SCHEMBL22255956 0.80 ALK (0.52) TTKALKINSRIGF1RLRRK2
SCHEMBL18912630 0.80 INSR (0.68) ALKINSRIGF1RLRRK2CAMK2D

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-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 — — CN disclosed
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