SCHEMBL8668430

SCHEMBL8668430

CSc1c(Oc2ccncn2)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 2/20 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
SCHEMBL8667379 0.83 BRAF (0.33) BRAFKDRMAPK14TNNI3K
SCHEMBL8672951 0.78 KMT2A (0.34) BRAFKDRMAPK14TNNI3KKMT2A
SCHEMBL8669996 0.77 L3MBTL1 (0.33) BRAFKDRMAPK14TNNI3K
SCHEMBL8669834 0.77 BRAF (0.39) BRAFKDRMAPK14TNNI3KTSHR
SCHEMBL8664741 0.76 HPGD (0.39) BRAFKDRMAPK14TNNI3KHPGD
SCHEMBL21376359 0.69 PARP1 (0.39) SMN1; SMN2ALDH1A1POLBHSD17B10PARP1
SCHEMBL30874294 0.68 GRK3 (0.33) SLC6A4PARP1
SCHEMBL28769171 0.68 GRK3 (0.33) SLC6A4PARP1
SCHEMBL9007828 0.67 SMN1; SMN2 (0.56) MAPK14TSHRSMN1; SMN2HPGDMRGPRX1
SCHEMBL8665228 0.66 BRAF (0.34) BRAFKDRMAPK14TNNI3K

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-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed