SCHEMBL8649463

SCHEMBL8649463

COCC(O)COc1cc2ncnc(N3CCc4ccc(Cl)cc43)c2cc1OC.CS(=O)(=O)O

nearest known ligand 0.53

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 9)

geneUniProtsupporting neighboursconfidence
EGFR known ✓ P00533 5/20 0.53
KDR known ✓ P35968 1/20 0.46
PDGFRB known ✓ P09619 12/20 0.46
CSF1R P07333 1/20 0.52
RET P07949 2/20 0.46
KIF5B P33176 1/20 0.46
PDGFRA P16234 7/20 0.46
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL8647215 0.90 EGFR (0.56) EGFRCSF1RRETKIF5BKDR
SCHEMBL9115373 0.89 EGFR (0.56) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649611 0.88 EGFR (0.52) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649464 0.87 EGFR (0.53) EGFRCSF1RRETKIF5BKDR
SCHEMBL8647393 0.87 EGFR (0.56) EGFRCSF1RRETKIF5BKDR
SCHEMBL8652543 0.86 EGFR (0.54) EGFRCSF1RRETKIF5BKDR
SCHEMBL9115998 0.85 EGFR (0.54) EGFRCSF1RRETKIF5BKDR
SCHEMBL8647397 0.84 EGFR (0.57) EGFRCSF1RRETKIF5BKDR
SCHEMBL8649679 0.84 EGFR (0.56) EGFRCSF1RKDRPDGFRB
SCHEMBL8652546 0.84 EGFR (0.56) EGFRCSF1RRETKIF5BKDR

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-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed