SCHEMBL624084

SCHEMBL624084

CN1CCN(CCNc2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.45
PIM1 P11309 8/20 0.44
ACP1 P24666 1/20 0.44
PIM2 Q9P1W9 4/20 0.41
KCNH2 Q12809 3/20 0.41
PIM3 Q86V86 3/20 0.41
FLT3 P36888 2/20 0.41
GAK O14976 1/20 0.41
STK10 O94804 1/20 0.41
YES1 P07947 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2A2 P19784 1/20 0.41
ACVR1 Q04771 1/20 0.41
PKN1 Q16512 1/20 0.41
HASPIN Q8TF76 1/20 0.41
SIK2 Q9H0K1 1/20 0.41
SLK Q9H2G2 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41

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
SCHEMBL627162 0.94 F2RL3 (0.44) F2RL3PIM1ACP1PIM2PIM3
SCHEMBL2253772 0.92 ACP1 (0.52) F2RL3PIM1ACP1PIM2PIM3
SCHEMBL1944702 0.90 PIM1 (0.55) F2RL3PIM1ACP1PIM2PIM3
SCHEMBL625517 0.90 PIM1 (0.47) F2RL3PIM1ACP1PIM2KCNH2
SCHEMBL623029 0.88 ACKR3 (0.51) F2RL3PIM1ACP1IRAK4
SCHEMBL1944086 0.84 F2RL3 (0.51) F2RL3PIM1IRAK4
SCHEMBL1944572 0.83 SCN9A (0.41) F2RL3PIM1ACP1IRAK4
SCHEMBL1945213 0.83 F2RL3 (0.46) F2RL3PIM1ACP1PIM2PIM3
SCHEMBL623435 0.82 PIM1 (0.46) F2RL3PIM1PIM2KCNH2PIM3
SCHEMBL1946084 0.82 F2RL3 (0.45) F2RL3PIM1ACP1IRAK4

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed