SCHEMBL5248227

SCHEMBL5248227

CN(c1ccc(F)cc1)c1ncnc(Cl)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.38
CSF1R P07333 6/20 0.38
PDGFRB P09619 3/20 0.35
KDR P35968 3/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
HTT P42858 1/20 0.33
GRM1 Q13255 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL5243561 0.86 EGFR (0.46) EGFRCSF1RPDGFRBKDRALDH1A1
SCHEMBL5244332 0.84 EGFR (0.53) EGFRCSF1RPDGFRBMEN1KMT2A
SCHEMBL17815795 0.80 MAP4K4 (0.36) EGFRCSF1RPDGFRBKDRSMN1; SMN2
SCHEMBL5244192 0.76 MAPT (0.43) EGFRCSF1RLMNASMN1; SMN2RXRA
SCHEMBL8856262 0.74 HTT (0.42) ALDH1A1LMNAHTTMEN1TP53
SCHEMBL27712681 0.73 CYP1A2 (0.41) EGFRCSF1RPDGFRBKDRALDH1A1
SCHEMBL21159595 0.73 RAB9A (0.38) CSF1RALDH1A1LMNASMN1; SMN2HTT
SCHEMBL9509773 0.72 EGFR (0.43) EGFRCSF1RPDGFRBKDRALDH1A1
SCHEMBL28004896 0.67 EGFR (0.74) EGFRCSF1RALDH1A1LMNASMN1; SMN2
SCHEMBL13338132 0.66 APP (0.52) ALDH1A1HTTMEN1CYP1A2ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848506-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES Attenuon, LLC (US) 2007-10-31 EP disclosed
WO-2006089298-A2 PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES ATTENUON, LLC (US) 2006-08-24 WO disclosed