SCHEMBL5084774

SCHEMBL5084774

NCC1CCC(n2cc(-c3cc4nc(-c5ccccc5)ccc4cc3Cl)c3cncnc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.37
RIPK2 O43353 3/20 0.35
ABL1 P00519 3/20 0.34
EGFR P00533 3/20 0.34
ABL2 P42684 3/20 0.34
CYP1A2 P05177 4/20 0.34
CYP2C19 P33261 3/20 0.34
ALOX15 P16050 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
IGF1R P08069 4/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2D6 P10635 1/20 0.32
LCK P06239 2/20 0.32
KDR P35968 2/20 0.32
TEK Q02763 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL397796 0.85 SRC (0.55) SRCRIPK2ABL1EGFRABL2
SCHEMBL5086449 0.85 CYP1A2 (0.36) SRCABL1EGFRCYP1A2CYP2C19
SCHEMBL5086486 0.84 IGF1R (0.39) SRCRIPK2ABL1EGFRABL2
SCHEMBL5085558 0.78 SRC (0.37) SRCRIPK2ABL1EGFRABL2
SCHEMBL5139460 0.76 SRC (0.37) SRCRIPK2ABL1EGFRABL2
SCHEMBL401422 0.75 SRC (0.46) SRCRIPK2ABL1EGFRABL2
SCHEMBL5082715 0.75 FLT3 (0.42) SRCABL1EGFRCYP1A2CYP2C19
SCHEMBL400110 0.75 SRC (0.63) SRCRIPK2ABL1EGFRABL2
SCHEMBL5137414 0.75 IGF1R (0.41) SRCABL1EGFRCYP1A2CYP2C19
SCHEMBL400250 0.74 PIK3CD (0.48) SRCABL1EGFRIGF1RLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979002-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2008076143-A1 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
WO-2007075554-A2 COMBINATION OF IGFR INHIBITOR AND ANTI-CANCER AGENT OSI PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed