SCHEMBL8949406

SCHEMBL8949406

N=C(N)c1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c(N3CCOCC3)nn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
LCK P06239 1/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
MAPK9 P45984 1/20 0.42
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
TGFBR1 P36897 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
SYK P43405 1/20 0.39
CNR2 P34972 1/20 0.39
PRSS1 P07477 5/20 0.38
PRSS2 P07478 5/20 0.38
PRSS3 P35030 5/20 0.38
F2 P00734 5/20 0.38
F10 P00742 5/20 0.38
ST14 Q9Y5Y6 5/20 0.38

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
SCHEMBL8949409 0.92 ITGB3 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8949422 0.91 MEN1 (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Hydrochloric Acid SCHEMBL8949417 0.90 MAPK14 (0.42) MAPK14LCKKITKDRMAPK9
SCHEMBL8949300 0.90 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8949089 0.88 ITGB3 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Hydrochloric Acid SCHEMBL8949020 0.82 TMPRSS15 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Hydrochloric Acid SCHEMBL8949012 0.81 MAPK13 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
Hydrochloric Acid SCHEMBL8949212 0.80 TMPRSS15 (0.40) ITGB3ITGA2BPRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8949151 0.79 TMPRSS15 (0.37) BMPR1BBMPR1AACVRL1ACVR1ITGB3
SCHEMBL8949023 0.79 ST14 (0.41) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed