SCHEMBL13472147

SCHEMBL13472147

Cc1ccc(-c2cnc(Nc3ccc(C)c(CCN4CCC(C(=O)O)CC4)c3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.40
▸ S1PR1 P21453 5/20 0.40
▸ KCNH2 Q12809 1/20 0.38
▸ BLK P51451 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ BTK Q06187 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ VCP P55072 2/20 0.36

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
SCHEMBL13472151 0.89 LMNA (0.52) KMT2ALMNA
SCHEMBL3654033 0.88 EGFR (0.39) SYKS1PR1BTKABL1
SCHEMBL13472146 0.80 CSF1R (0.42) SYK
SCHEMBL13472142 0.80 LTA4H (0.46) SYKBTK
SCHEMBL3644483 0.79 LMNA (0.45) KCNH2KMT2ALMNA
SCHEMBL3652219 0.78 EGFR (0.39) SYKS1PR1BTKABL1
SCHEMBL12846723 0.78 MELK (0.40) SYKS1PR1BTK
SCHEMBL1735359 0.77 OPRM1 (0.46) —
Hydrochloric Acid SCHEMBL1734487 0.76 OPRM1 (0.45) —
SCHEMBL13472144 0.75 ALDH1A1 (0.50) KMT2ALMNA

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-8293757-B2 5-(4-(haloalkoxy)phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC (BM) 2012-10-23 — — US disclosed
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