SCHEMBL9687547

SCHEMBL9687547

CCOC(=O)C1(C)NCCc2c1[nH]c1cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALK Q9UM73 3/20 0.37
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 1/20 0.35
CFTR P13569 2/20 0.35
PLK4 O00444 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
CLK2 P49760 1/20 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
SCHEMBL10465435 0.96 KMT2A (0.43) KMT2AALKGABRA1GABRB1GABRA3
SCHEMBL9685278 0.88 KMT2A (0.40) KMT2AALKCFTRGSK3BCDK5
SCHEMBL9686034 0.87 ALK (0.44) KMT2AALKCFTRGSK3BCDK5
Hydrochloric Acid SCHEMBL10701881 0.87 KMT2A (0.39) KMT2AALKCFTRGSK3BCDK5
SCHEMBL9685713 0.84 KMT2A (0.62) KMT2AGABRA1GABRB1GABRA3GABRB2
SCHEMBL10465133 0.84 KMT2A (0.47) KMT2ACFTRGSK3BMAPT
SCHEMBL2705403 0.79 CFTR (0.42) CFTRMAPK1GSK3BCDK5MAPT
SCHEMBL3476660 0.76 OPRM1 (0.40) KMT2ACFTRGSK3BCDK5MAPT
SCHEMBL11458021 0.74 KMT2A (0.54) KMT2ACFTRKDRGSK3BDYRK1A
SCHEMBL10484393 0.72 KMT2A (0.50) KMT2AMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP claimed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 EP claimed
EP-0273321-B1 7-BROMO-BETA-CARBOLINE COMPOUND AND METHOD FOR PRODUCING SAME Kawaken Fine Chemicals Co., Ltd. (JP) 1992-04-22 EP disclosed
US-4894457-A BROMINATION, HYDROLYSIS KAWAKEN FINE CHEMICALS CO., LTD. (JP) 1990-01-16 US disclosed
EP-0273321-A1 7-Bromo-beta-carboline compound and method for producing same Kawaken Fine Chemicals Co., Ltd. (JP) 1988-07-06 EP disclosed