SCHEMBL6016964

SCHEMBL6016964

CNc1nc(N(C)c2ccc(OC)c(F)c2)nc(N(C2CCCCCC2)C2CCCNC2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
GALR1 P47211 1/20 0.33
KMT2A Q03164 1/20 0.33
CDK9 P50750 7/20 0.33
CCNT1 O60563 5/20 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

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
SCHEMBL5032287 0.84 KDM4E (0.38) GALR1KMT2AEHMT2EHMT1KDM1A
SCHEMBL4839842 0.76 EHMT2 (0.43) GALR1KMT2AEHMT2EHMT1
SCHEMBL4837222 0.72 CCR4 (0.43) GALR1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5031282 0.71 GALR1 (0.44) HTR2AHTR2CHTR2BGALR1TUBB4A
SCHEMBL5549939 0.71 EHMT2 (0.39) HTR2AHTR2CHTR2BGALR1KMT2A
SCHEMBL4836743 0.71 CCR4 (0.42) GALR1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL4839396 0.70 GALR1 (0.47) GALR1
SCHEMBL5424915 0.70 EHMT2 (0.39) HTR2AGALR1KMT2ACDK9CCNT1
SCHEMBL6863750 0.70 EHMT2 (0.46) GALR1EHMT2EHMT1
SCHEMBL4837987 0.70 EHMT2 (0.50) KMT2AEHMT2EHMT1

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-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed