SCHEMBL3978239

SCHEMBL3978239

CCC(CNc1nc(-c2cc(Cl)ccc2O)ncc1Br)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.38
▸ AAK1 Q2M2I8 4/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35

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
SCHEMBL3978233 1.00 SYK (0.38) SYKAAK1TRPA1LMNASMN1; SMN2
SCHEMBL4523758 0.90 SYK (0.39) SYKAAK1TRPA1LMNASMN1; SMN2
SCHEMBL4511910 0.79 PRKD3 (0.46) SYKLMNASMN1; SMN2KDM4ENPC1
SCHEMBL4511913 0.79 PRKD3 (0.46) SYKLMNASMN1; SMN2KDM4ENPC1
SCHEMBL4511916 0.79 PRKD3 (0.46) SYKLMNASMN1; SMN2KDM4ENPC1
SCHEMBL3910866 0.78 SYK (0.39) SYKAAK1TRPA1LMNASMN1; SMN2
SCHEMBL4508603 0.78 SYK (0.39) SYKAAK1TRPA1LMNASMN1; SMN2
SCHEMBL4508610 0.78 SYK (0.39) SYKAAK1TRPA1LMNASMN1; SMN2
SCHEMBL4049100 0.77 AAK1 (0.43) SYKAAK1ALDH1A1MAPTPRKD3
SCHEMBL4509993 0.75 EGFR (0.43) SYKAAK1LMNASMN1; SMN2KDM4E

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
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 — — EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO disclosed
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