SCHEMBL7968222

SCHEMBL7968222

CC(C)Cn1nnnc1-c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)c(=O)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.37
F2 P00734 8/20 0.36
F10 P00742 7/20 0.36
PLG P00747 5/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
IDH1 O75874 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 1/20 0.32

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
SCHEMBL7413755 0.79 PPARG (0.47) ALDH1A1MAPTKDM4EBRD4
SCHEMBL7427026 0.78 F2 (0.43) ALDH1A1F2F10PLGKDM4E
SCHEMBL7426210 0.75 F2 (0.46) CNR2F2F10PLGKDM4E
SCHEMBL7981313 0.71 ALDH1A1 (0.44) ALDH1A1MAPTCNR2F2F10
Hydrochloric Acid SCHEMBL8028429 0.71 F2 (0.47) CNR2F2F10PLG
SCHEMBL7982258 0.71 F2 (0.41) ALDH1A1MAPTCNR2F2F10
SCHEMBL7426354 0.70 F2 (0.55) CNR2F2F10PLGPRSS1
SCHEMBL7978111 0.69 F2 (0.44) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.68 F2 (0.72) ALDH1A1CNR2F2F10PLG
SCHEMBL7981516 0.67 BRPF1 (0.42) ALDH1A1CNR2F2F10PLG

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed