SCHEMBL11080252

SCHEMBL11080252

O=C(O)c1ccc2nc3n(c(=O)c2c1)CCC/C3=C\c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.78
MEN1 O00255 8/20 0.78
POLB P06746 2/20 0.65
HPGD P15428 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 2/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53
TUBA3C P0DPH7 2/20 0.53
TUBA1B P68363 2/20 0.53
TUBA4A P68366 2/20 0.53
TUBB4B P68371 2/20 0.53
TUBB3 Q13509 2/20 0.53
TUBB2A Q13885 2/20 0.53

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
SCHEMBL11080254 1.00 KMT2A (0.78) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11080420 0.95 KMT2A (0.86) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11080417 0.95 KMT2A (0.86) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11088366 0.91 POLB (0.66) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11088364 0.91 POLB (0.66) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11088064 0.90 POLB (0.65) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11088059 0.90 POLB (0.65) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL29519719 0.90 MEN1 (0.66) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11080648 0.85 KMT2A (0.71) KMT2AMEN1POLBHPGDNPSR1
SCHEMBL11080652 0.85 KMT2A (0.71) KMT2AMEN1POLBHPGDNPSR1

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-4428952-A Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers FARMITALIA CARLO ERBA S.P.A. (IT) 1984-01-31 US disclosed