SCHEMBL17277293

SCHEMBL17277293

Cc1cc2cn(-c3ccc(C(=O)NCCNC(=N)N)cc3)c(=O)nc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F9 P00740 5/20 0.39
ABL1 P00519 5/20 0.38
BCR P11274 5/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
F10 P00742 2/20 0.35
POLB P06746 2/20 0.35
PARP1 P09874 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHUK O15111 1/20 0.33
INSR P06213 1/20 0.33
MAPK8 P45983 1/20 0.33
CAMKK2 Q96RR4 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
SCHEMBL13627 0.96 F9 (0.38) F9ABL1BCRMAPTRAB9A
SCHEMBL17277485 0.89 KMT2A (0.42) F9ABL1BCRRAB9AF10
SCHEMBL12062045 0.89 F9 (0.37) F9ABL1BCRMAPTRAB9A
SCHEMBL17277467 0.87 FLT3 (0.42) F9MAPK8
SCHEMBL12061813 0.85 F10 (0.39) F9MAPTRAB9AF10LMNA
SCHEMBL20019807 0.85
SCHEMBL17277314 0.85 PARP1 (0.32) MAPTRAB9AF10POLBPARP1
SCHEMBL12075213 0.84 MEN1 (0.39) F9F10MEN1KMT2ACHUK
SCHEMBL17484562 0.84 LMNA (0.38) F9F10POLBLMNACHUK
SCHEMBL17277412 0.82 ALDH1A1 (0.40) MAPTPOLBLMNAMEN1KMT2A

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-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed