SCHEMBL9978652

SCHEMBL9978652

CC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)C1.CS(=O)(=O)O

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 4/20 0.60
KIT known ✓ P10721 4/20 0.60
KDR known ✓ P35968 1/20 0.41
FLT3 P36888 17/20 0.70
CSF1R P07333 17/20 0.70
PDGFRA P16234 4/20 0.60
RET P07949 4/20 0.42
NTRK1 P04629 1/20 0.41
KCNH2 Q12809 1/20 0.41
CCDC6 Q16204 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
SCHEMBL9978577 0.97 FLT3 (0.74) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978893 0.97 FLT3 (0.74) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978713 0.97 FLT3 (0.74) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978908 0.96 FLT3 (0.77) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978825 0.93 FLT3 (0.81) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978567 0.91 FLT3 (0.69) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL15388551 0.91 FLT3 (0.85) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL15388587 0.91 FLT3 (0.85) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978679 0.88 FLT3 (0.78) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698863 0.88 FLT3 (0.91) FLT3CSF1RPDGFRBKITPDGFRA

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-2011150201-A2 AZOLYL AMIDE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO claimed