SCHEMBL28378617

SCHEMBL28378617

O=C(Nc1cccc(C2COCCN2)c1N1CCCCC1)c1csc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CHEK1 O14757 12/20 0.39
▸ MAPK10 P53779 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28382394 0.88 MAPK10 (0.46) PIM1PIM3TSHRPOLBATM
SCHEMBL28378686 0.87 CHEK1 (0.55) CHEK1
SCHEMBL28378703 0.81 TSHR (0.59) TSHRPOLBATMMAPK10MAPK8
SCHEMBL28383374 0.78 PIM1 (0.53) PIM1PIM3TSHRPOLBATM
SCHEMBL29033319 0.76 HPGD (0.42) TSHRPOLBATMMAPK10KDM4E
SCHEMBL15071641 0.72 PIM1 (0.72) PIM1PIM3TSHRCHEK1NPSR1
SCHEMBL28383357 0.68 CHEK1 (0.65) PIM1PIM3CHEK1
SCHEMBL20598523 0.68 NTRK1 (0.56) PIM1PIM3
SCHEMBL20598729 0.67 CSF1R (0.49) PIM1PIM3TSHRKDM4E
SCHEMBL10184985 0.67 PIM2 (0.59) PIM1PIM3

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-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
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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