SCHEMBL28380085

SCHEMBL28380085

O=C(Nc1ccc(CC2CNCCO2)cc1N1CCCCC1)c1csc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.42
▸ PIM3 Q86V86 3/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ CHEK1 O14757 11/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ CSF1R P07333 2/20 0.39

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
SCHEMBL28379087 0.93 PIM1 (0.41) PIM1PIM3PIM2CHEK1SLC6A3
SCHEMBL28379118 0.87 PIM1 (0.43) PIM1PIM3CSF1R
SCHEMBL28887709 0.85 CSF1R (0.57) CSF1R
SCHEMBL28382809 0.80 PIM1 (0.43) PIM1PIM3CSF1R
SCHEMBL28383473 0.79 PIM1 (0.39) PIM1PIM3PIM2CHEK1SLC6A3
SCHEMBL29033318 0.79 SLC6A3 (0.44) PIM1PIM3PIM2CHEK1SLC6A3
SCHEMBL20598602 0.79 PIM1 (0.44) PIM1PIM3PIM2CHEK1CSF1R
SCHEMBL20598423 0.78 PIM1 (0.46) PIM1PIM3PIM2CSF1R
SCHEMBL28383104 0.78 CYP1A2 (0.58) CSF1R
SCHEMBL20597905 0.77 CSF1R (0.44) PIM1PIM3PIM2KCNH2CSF1R

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-111032642-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN disclosed
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