SCHEMBL248207

SCHEMBL248207

CN1CCN(c2ccc(Cc3nc4ncccc4cc3C(N)=O)cc2C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.43
FLT4 P35916 3/20 0.43
PDGFRA P16234 2/20 0.43
FLT3 P36888 2/20 0.43
KCNH2 Q12809 2/20 0.43
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
EML4 Q9HC35 1/20 0.41
ALK Q9UM73 1/20 0.41
MTOR P42345 1/20 0.41
KDR P35968 2/20 0.40
GPR52 Q9Y2T5 2/20 0.40
PIM1 P11309 1/20 0.39
CDK4 P11802 1/20 0.39
CCND3 P30281 1/20 0.39

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
SCHEMBL617215 0.79 CSF1R (0.46) CSF1RFLT4PDGFRAFLT3KCNH2
SCHEMBL253705 0.75 AURKA (0.47) AURKARPS6KB1AURKBGPR52
SCHEMBL252286 0.75 PARP1 (0.41) RPS6KB1CDK2
SCHEMBL248208 0.75 TRPV1 (0.47) CSF1RFLT4PDGFRAFLT3KCNH2
SCHEMBL253233 0.74 SYK (0.40) RPS6KB1GPR52
SCHEMBL253123 0.73 SYK (0.42) KCNH2GPR52NTRK1NTRK3
SCHEMBL619784 0.71 TRPV1 (0.53) TRPV1
SCHEMBL617313 0.71 ENPP2 (0.46) CSF1RFLT4PDGFRAFLT3KCNH2
SCHEMBL616887 0.70 CSF1R (0.47) CSF1RAURKARPS6KB1AURKBTRPV1
SCHEMBL619224 0.69 TRPV1 (0.43) CSF1RFLT4PDGFRAFLT3KCNH2

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
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed